Geometry & MOs

Info

ID:	18941
PubChem CID:	551298
Reduced:	N2F3O5C15H17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	362.108956
ΔH_f, kcal/mol:	-298.64
Dipole, Da:	10.29
IP(EA), eV:	-10.02(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-1-[4-nitro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations